3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol

C9H18N4O — CID 103866980

IUPAC3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)Cc1cn(C)nn1
InChIInChI=1S/C9H18N4O/c1-3-13(5-4-6-14)8-9-7-12(2)11-10-9/h7,14H,3-6,8H2,1-2H3
InChIKeyNQRHCSYQXVGBCT-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.02
Rot. Bonds6

About 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol

3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol (PubChem CID 103866980) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
PubChem CID103866980
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
SMILESCCN(CCCO)Cc1cn(C)nn1
InChIInChI=1S/C9H18N4O/c1-3-13(5-4-6-14)8-9-7-12(2)11-10-9/h7,14H,3-6,8H2,1-2H3
InChIKeyNQRHCSYQXVGBCT-UHFFFAOYSA-N
XLogP0.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol (CID 103866980) is 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol is CCN(CCCO)Cc1cn(C)nn1.
What is the InChIKey of 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol?
The InChIKey is NQRHCSYQXVGBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-13(5-4-6-14)8-9-7-12(2)11-10-9/h7,14H,3-6,8H2,1-2H3.
What are the key properties of 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol?
3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 103866980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).